Compound Detail
CHEMBL146822
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CN(CCOc1ccc(CC(Nc2ccccc2C(=O)Cc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
Basic Information
| ChEMBL ID | CHEMBL146822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCXQRVQRFRSCLV-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
5.88
ALogP
7
HBA
2
HBD
104.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.54
Ki 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.54 | 7.435 | 28.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 3.311 | nM | 8.48 | In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma... | 9836620 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 28.84 | nM | 7.54 | Activation of peroxisome proliferator activated receptor gamma measured by induc... | 9836620 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 46.77 | nM | 7.33 | Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using l... | 9836620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836620 | 10.1021/jm9804127 | Peroxisome proliferator-activated receptor gamma | 3 |
| 17482722 | 10.1016/j.ejmech.2007.03.004 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine